Compound Identification
SMILES
OCCO.OCC(O)CO.CC(C)(CO)CO.OC(=O)C1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=LUETWJPNXUTTGX-UHFFFAOYSA-N
Formula
C18H32O11
Mass
424.443
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 P-phthalic acid and derivatives
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
P-phthalic acid and derivatives
Alternative Parents
Benzoic acids Benzoyl derivatives Sugar alcohols Dicarboxylic acids and derivatives Secondary alcohols Polyols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Para_phthalic_acid - Benzoic acid - Benzoyl - Sugar alcohol - Dicarboxylic acid or derivatives - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors
Not available